Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSRLATRFEKLQSQQRKALVSYVMAGDPQPQVTVPLLHKMVAAGVDVIELGLPFSDPMADGPVIALAAERALAAGTNTLDALNMVKEFREQDQETPVVLMGYLNPVEVIGYEKFVSYAKQCGVDGLLLVDLPPEESKEFGAILKQHDMDQIFLLAPTSTDQRIQHVANQASGFIYYVSLKGVTGAATLDTSEAAARIEKIKGMTNVPVGVGFGISDAAS-AKAMGSVADAVIVGSAFVKSFATLAADEAVEQTVNKVKELRAALDELV 3CEP Chain:A ((2-259)) -ERYENLFAQLNDRREGAFVPFVTLGDPGIEQSLKIIDTLIDAGADALELGVPFSDPLADGPTIQNANLRAFAAGVTPAQCFEMLAIIREKHPTIPIGLLMYANLVFNNGIDAFYARCEQVGVDSVLVADVPVEESAPFRQAALRHNIAPIFICPPNADDDLLRQVASYGRGYTYLLSRSGVTGAENRGALPLHHLIEKLKEYHAAPALQGFGISSPEQVSAAVRAGAAGAISGSAIVK---------IIEKNLASPKQMLAELRSFV

General information: TITO was launched using: RESULT: Template: 3CEP.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1471 -172236 -117.09 -670.18 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -117.09 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.616

(partial model without unconserved sides chains): PDB file : Tito_3CEP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CEP-query.scw PDB file : Tito_Scwrl_3CEP.pdb: